(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one

C26H44O — CID 140679119

IUPAC(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one
SMILESCCCCC/C=C\CC/C=C\CC/C=C\CC/C=C\CCCC(=O)C(C)C
InChIInChI=1S/C26H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)25(2)3/h8-9,12-13,16-17,20-21,25H,4-7,10-11,14-15,18-19,22-24H2,1-3H3/b9-8-,13-12-,17-16-,21-20-
InChIKeyUEFDLKHJLZXAQT-LMJAJTSOSA-N
MW372.64 g/mol
LogP8.53
Rot. Bonds18

About (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one

(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one (PubChem CID 140679119) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one.

Molecular Properties

Compound Name(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one
PubChem CID140679119
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one
SMILESCCCCC/C=C\CC/C=C\CC/C=C\CC/C=C\CCCC(=O)C(C)C
InChIInChI=1S/C26H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)25(2)3/h8-9,12-13,16-17,20-21,25H,4-7,10-11,14-15,18-19,22-24H2,1-3H3/b9-8-,13-12-,17-16-,21-20-
InChIKeyUEFDLKHJLZXAQT-LMJAJTSOSA-N
XLogP8.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one?
The IUPAC name of (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one (CID 140679119) is (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one.
What is the SMILES notation for (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one?
The canonical SMILES for (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one is CCCCC/C=C\CC/C=C\CC/C=C\CC/C=C\CCCC(=O)C(C)C.
What is the InChIKey of (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one?
The InChIKey is UEFDLKHJLZXAQT-LMJAJTSOSA-N. The full InChI is InChI=1S/C26H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)25(2)3/h8-9,12-13,16-17,20-21,25H,4-7,10-11,14-15,18-19,22-24H2,1-3H3/b9-8-,13-12-,17-16-,21-20-.
What are the key properties of (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one?
(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one has a molecular weight of 372.64 g/mol, XLogP of 8.53, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one is sourced from PubChem (CID 140679119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).